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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2024

Review and Modeling of Integrated Energy Systems with Nuclear Reactor Coupled Desalination and District Heating

Detailed reviews of a past advanced nuclear reactor based integrated energy system, as well as other nuclear reactor and fossil fuel based integrated energy systems have been performed for this work. Review of the utilization of heat from nuclear reactors for various applications and cogeneration has been done. The heat can be utilized by extraction of the steam from the turbine while the steam is still at a desired temperature. While use of nuclear process heat for district heating in countries like Finland, France, China, Poland, and elsewhere is discussed, more focus of the review has been given on nuclear desalination processes. Integrated energy systems (IES) where distinct types of reactors like PWR, BWR, sodium cooled fast reactor, heavy water reactor and other advanced reactors are coupled with various nuclear desalination processes like multi-effect distillation (MED), multi-stage flashing (MSF) and reverse osmosis (RO) methods have been discussed. The nuclear desalination plant at Aktau has been discussed in more detail due to its decades of successful operation. The IES of the Aktau plant coupled with 5-effect MED desalination plant has been taken as a reference for modeling the Open Modelica (OM) based IES of this work. Here, the OM IES model shows good agreement with the MED plant output of Aktau and can be extended for future applications of IES.

42 ENGINEERING↗
DOE OSTI2019

Adaptive sparse polynomial dimensional decomposition for derivative-based sensitivity

In this report applications, such as the plasma-coupled combustion system we consider, derivative-based sensitivity indices (DSI) are known to have several advantages over Sobol's total sensitivity indices, especially for small sample sizes. Several properties of derivative-based sensitivity measures are leveraged to develop a new and efficient numerical approach to estimate them. It is based on computing the DSI measures by effectively cost-free Monte Carlo sampling of an adaptively constructed orthogonal polynomial surrogate with uncertain input parameters that can have arbitrary probability distributions. The adaptivity reduces the number of necessary model evaluations, which is demonstrated both in a constructed example (the Moon function) and in two plasma-combustion systems with up to 55 uncertain parameters. Unimportant parameters are successfully identified and neglected with a low number of model evaluations, which makes it an attractive non-intrusive approach when adjoint solutions are unavailable to provide sensitivity information.

42 ENGINEERING↗
DOE OSTI2017

A Discrete-Time Average Model Based Predictive Control for Quasi-Z-Source Inverter

A discrete-time average model-based predictive control (DTA-MPC) is proposed for a quasi-Z-source inverter (qZSI). As a single-stage inverter topology, the qZSI regulates the dc-link voltage and the ac output voltage through the shoot-through (ST) duty cycle and the modulation index. Several feedback strategies have been dedicated to produce these two control variables, among which the most popular are the proportional–integral (PI)-based control and the conventional model-predictive control (MPC). However, in the former, there are tradeoffs between fast response and stability; the latter is robust, but at the cost of high calculation burden and variable switching frequency. Moreover, they require an elaborated design or fine tuning of controller parameters. The proposed DTA-MPC predicts future behaviors of the ST duty cycle and modulation signals, based on the established discrete-time average model of the quasi-Z-source (qZS) inductor current, the qZS capacitor voltage, and load currents. The prediction actions are applied to the qZSI modulator in the next sampling instant, without the need of other controller parameters’ design. A constant switching frequency and significantly reduced computations are achieved with high performance. Transient responses and steady-state accuracy of the qZSI system under the proposed DTA-MPC are investigated and compared with the PI-based control and the conventional MPC. Simulation and experimental results verify the effectiveness of the proposed approach for the qZSI.

42 ENGINEERING↗
DOE OSTI2024

SEAS Communication Engine: An Extensible, Flexible Wrapper for Co-Simulation Agents

When modeling and analyzing the power grid and other large scale systems, researchers often express scenarios as optimization problems and feed them into advanced software solvers. In order to allow multiple solvers to communicate with each other and share data from different domains, the National Renewable Energy Laboratory (NREL) and associated Department of Energy (DOE) labs have developed a software framework called the Hierarchical Engine for Large-scale Infrastructure Co-Simulation (HELICS). HELICS allows cosimulation via a collection of client libraries for different languages that can be called from the appropriate optimization software. However, these client libraries do not provide a higher level of abstraction beyond reading and writing data off of the shared HELICS bus. In this paper, we describe a new software library called the SEAS Communication Engine that exposes a higher-level API for running cosimulation problems. The SEAS Engine provides a class-based abstraction on top of the Python HELICS client, in order to allow users to implement their domain-specific cosimulations without needing to interact with core HELICS primitives. This will make adoption of HELICS and cosimulation in general easier, by exposing a simpler API. In the second part of the paper, we validate our library on a collection of different simulation examples, including the canonical IEEE 13 Bus Feeder. Lastly, we demonstrate using the SEAS Engine to directly call domain-specific code written in the Julia programming language. Our hope is that this will serve as a template for easily calling software in different programming languages via the SEAS Engine, thereby avoiding code duplication and complexity.

co-simulation↗
DOE OSTI2015

Total Dissolved Gas Prediction and Optimization in RIVERWARE

Management and operation of dams within the Columbia River Basin (CRB) provides the region with irrigation, hydropower production, flood control, navigation, and fish passage. These various system-wide demands can require unique dam operations that may result in both voluntary and involuntary spill, thereby increasing tailrace levels of total dissolved gas (TDG) which can be fatal to fish. Appropriately managing TDG levels within the context of the systematic demands requires a predictive framework robust enough to capture the operationally related effects on TDG levels. Development of the TDG predictive methodology herein attempts to capture the different modes of hydro operation, thereby making it a viable tool to be used in conjunction with a real-time scheduling model such as RiverWare. The end result of the effort will allow hydro operators to minimize system-wide TDG while meeting hydropower operational targets and constraints. The physical parameters such as spill and hydropower flow proportions, accompanied by the characteristics of the dam such as plant head levels and tailrace depths, are used to develop the empirically-based prediction model. In the broader study, two different models are developed a simplified and comprehensive model. The latter model incorporates more specific bubble physics parameters for the prediction of tailrace TDG levels. The former model is presented herein and utilizes an empirically based approach to predict downstream TDG levels based on local saturation depth, spillway and powerhouse flow proportions, and entrainment effects. Representative data collected from each of the hydro projects is used to calibrate and validate model performance and the accuracy of predicted TDG uptake. ORNL, in conjunction with IIHR - Hydroscience & Engineering, The University of Iowa, carried out model adjustments to adequately capture TDG levels with respect to each plant while maintaining a generalized model configuration. Validation results indicate excellent model performance with coefficient of determination values exceeding 92% for all sites. This approach enables model extension to an increasingly wider array of hydropower plants, i.e., with the proper data input, TDG uptake can be calculated independent of actual physical component design. The TDG model is used as a module in the systematic optimization framework of RiverWare, a river and reservoir modeling tool used by federal agencies, public utility districts, and other dam owners and operators to forecast, schedule, and manage hydropower assets. The integration and testing of the TDG module within RiverWare, led by University of Colorado's Center for Advanced Decision Support for Water and Environmental Systems (CADSWES), will allow users to generate optimum system schedules based on the minimization of TDG. Optimization analysis and added value will be quantified as system wide reductions in TDG achieved while meeting existing hydropower constraints. Future work includes the development of a method to predict downstream reservoir forebay TDG levels as a function of upstream reservoir tailrace TDG values based on river hydrodynamics, hydro operations, and reservoir characteristics. Once implemented, a holistic model that predicts both TDG uptake and transport will give hydropower operators valuable insight into how system-wide environmental effects can be mitigated while simultaneously balancing stakeholder interests.

13 HYDRO ENERGY↗
DOE OSTI2023

Interplay between Facets and Defects during the Dissociative and Molecular Adsorption of Water on Metal Oxide Surfaces

Both surface terminations and defects play a central role in determining how water interacts with metal oxides, thereby setting important properties of the interface that govern reactivity such as the type and distribution of hydroxyl groups. However, the interconnections between facets and defects remain poorly understood, limiting the usefulness of conventional notions such as that hydroxylation is controlled by metal cation exposure at the surface. Here, using hematite (α-Fe 2 O 3 ) as a model system, we show how oxygen vacancies overwhelm surface cation-dependent hydroxylation behavior. Synchrotron-based ambient-pressure X-ray photoelectron spectroscopy was used to monitor the adsorption of molecular water and its dissociation to form hydroxyl groups in situ on (001), (012), or (104) facet-engineered hematite nanoparticles. Supported by density functional theory calculations of the respective surface energies and oxygen vacancy formation energies, the findings show how oxygen vacancies are more prone to form on higher energy facets and induce surface hydroxylation at extremely low relative humidity values of 5 x10 - 5 %. Further, when these vacancies are eliminated, the extent of surface hydroxylation across the facets is as expected from the areal density of exposed iron cations at the surface. These findings help answer fundamental questions about the nature of reducible metal oxide-water interfaces in natural and technological settings and lay the groundwork for rational design of improved oxide-based catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

TU-AB-303-07: Evaluation of Automatic Segmentation of Critical Structures for Head-And-Neck and Thoracic Radiotherapy Planning

Purpose: To evaluate the performance of commercially available automatic segmentation tools built into treatment planning systems (TPS) in terms of their segmentation accuracy and flexibility in customization. Methods: Twelve head-and-neck cancer patients and twelve thoracic cancer patients were retrospectively selected to benchmark the model-based segmentation (MBS) and atlas-based segmentation (ABS) in RayStation TPS and the Smart Probabilistic Image Contouring Engine (SPICE) in Pinnacle TPS. Multi-atlas contouring service (MACS) that was developed in-house as a plug-in of Pinnacle TPS was evaluated as well. Manual contours used in clinic were reviewed and modified for consistency and served as ground truth for the evaluation. Head-and-neck evaluation included six regions of interest (ROIs): left and right parotid glands, brainstem, spinal cord, mandible, and submandibular glands. Thoracic evaluation includes seven ROIs: left and right lungs, spinal cord, heart, esophagus, and left and right brachial plexus. Auto-segmented contours were compared with the manual contours using the Dice similarity coefficient (DSC) and the mean surface distance (MSD). Results: In head- and-neck evaluation, only mandible has a high accuracy in all segmentations (DSC>85%); SPICE achieved DSC>70% for parotid glands; MACS achieved this for both parotid glands and submandibular glands; and RayStation ABS achieved this for spinal cord. In thoracic evaluation, SPICE achieved the best in lung and heart segmentation, while MACS achieved the best for all other structures. The less distinguishable structures on CT images, such as brainstem, spinal cord, parotid glands, submandibular glands, esophagus, and brachial plexus, showed great variability in different segmentation tools (mostly DSC<70% and MSD>3mm). The template for RayStation ABS can be easily customized by users, while RayStation MBS and SPICE rely on the vendors to provide the templates/models. Conclusion: Great variability was observed in different segmentation tools applied to different structures. These commercially-available segmentation tools should be carefully evaluated before clinical use.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Engineering a therapeutic microbe for site-of-infection delivery of encapsulated antimicrobial peptides (AMPs)

Antimicrobial peptides (AMPs) are promising therapeutics against antibiotic resistant pathogens, but they are difficult to administer at the site of infection due to poor stability. To enhance the stability of AMPs for effective and specific delivery at a site of infection, this project aimed to develop components of a novel, cell-based, drug delivery platform for AMPs in which a therapeutic microbe is engineered to specifically detect a pathogen of interest and effectively release AMPs at high, local concentrations in response. We focused the majority of our project on developing a system to produce normally host-toxic AMPs in our model therapeutic microbe (Escherichia coli) in high quantities using a protein cage system called an encapsulin (Enc) nanocompartment system. We were able to successfully produce an AMP called HBCM2 (HB), which is effective in killing our model pathogen, Pseudomonas aeruginosa, in E. coli by fusing it to an engineered, non-cage forming Enc protein, which prevented its toxicity to the E. coli. This engineered Enc protein could then be digested by a specific protease (TEV protease) for release of HB when desired. In addition to the HB production system, we also constructed a preliminary engineered E. coli capable of sensing P. aeruginosa via its specific quorum-sensing molecule, producing HB peptide, and releasing it via self-lysis in response. Preliminary characterization of this system was conducted, but we hope to fully characterize the system in future studies. The overall results produced from this study demonstrate the power of synthetic biology to confer novel functions on cells for biomanufacturing and therapeutic applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Capturing the full benefits of bifacial modules to approach an LCOE of 3c/kWh through a regional optimization of the electrical architecture (Final Technical Report)

This is the final technical report for the Cypress Creek Renewables project focused on bifacial plant performance. The project consisted of building a heavily instrumented Bifacial test sites with several cell technologies; instrumenting >1 MW scale commercial sites with both monofacial and bifacial arrays in order to understand real-world differences; and to engage with the performance modeling and financial stakeholder community to improve accuracy and increase investor confidence. The data from the test and commercial sites has been used to validate and improve the accuracy of both physics-based and reduced order modeling software. The heavily instrumented nature has been used to understand how light contributions from the sky and reflected from the ground impact different portions of the module and array while the data from the commercial sites has directly impacted how independent engineers model production from bifacial systems. The latter point has led to an increase in over 2% compared to earlier predictions. Even this modest increase has had significant downward pressure on project LCOE. As the data and results are both public, this refined modeling and empirical evidence for a higher bifacial gain than modeled, the benefits to the broader US solar community are assured.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Best practices in software development for robust and reproducible geoscientific models based on insights from the Global Carbon Budget's dynamic vegetation models

Computational models play an increasingly vital role in scientific research by enabling the numerical simulation of complex processes. Such models are also fundamental in geosciences. For instance, they offer critical insights into the impacts of global change on the Earth system today and in the future. Beyond their value as research tools, models are also software products and should therefore adhere to certain established software engineering standards. However, scientists are rarely trained as software developers, which can lead to potential deficiencies in software quality like unreadable, inefficient, or erroneous code. The complexity of models, coupled with their integration into broader workflows, also often makes it challenging to reproduce results, evaluate processes, and build upon them. In this paper, we review the state and current practices of the development processes of the state-of-the-art land surface models used by the Global Carbon Budget. We combine the experience of modelers from the respective research groups with the expertise of software engineers from tech companies to outline key principles and tools for improving software quality in research. We explore four main areas: (1) model testing and validation, (2) scientific, technical, and user documentation, (3) version control, continuous integration, and code review, and (4) the portability and reproducibility of workflows. Our review reveals that while modeling communities are incorporating many best practices, significant room for improvement remains in areas such as automated testing, automated documentation, and reproducibility. Therefore, we here identify and promote essential software engineering practices, including numerous examples of practices from within the community that can serve as guidelines for other models and could help streamline processes across the entire community. We conclude with an open-source example implementation of these principles, demonstrating portable and reproducible data flows, a continuous integration setup, and web-based visualizations. This example may serve as a practical resource for model developers, users, and all scientists engaged in scientific programming.

Gregor, Konstantin [Technical Univ. of Munich (Ger↗
DOE OSTI2022

Preliminary Thermal-Hydraulic Analysis of the UTA–2 Subcritical Linear Accelerator–Driven System

The National Nuclear Security Administration’s mission includes establishing a reliable supply of 99 Mo without highly enriched uranium. Oak Ridge National Laboratory (ORNL) supports this objective through collaborative research and development with industrial partners. Niowave Inc., a current partner, is currently designing a subcritical linear accelerator-driven system (ADS) and preparing for the US Nuclear Regulatory Commission’s licensing process. Niowave’s system has the potential to efficiently supply medical radioisotopes. The technology includes a superconducting electron accelerator and a pile of both natural and low-enriched uranium (LEU) targets. The process fissions uranium and many valuable isotopes can then be extracted from the targets. Niowave is currently iterating through conceptual and detailed design processes for several system sizes. This report discusses UTA–2, which is at the demonstration stage. UTA–2 will validate numerical modeling results with experimental measurements before progressing to the detailed design of UTA–3, the commercial-sized ADS. The thermal-hydraulic behavior of the UTA–2 core design was numerically investigated using STAR-CCM+, as described in this report. STAR-CCM+, a state-of-the-art computational fluid dynamics (CFD) software that was commercially developed by Siemens, has an extensive user base and a set of validation studies. It is also compliant with the American Society of Mechanical Engineers’ Nuclear Quality Assurance 1 standard. Three cases are investigated in this report. Case 1 quantified the temperature field within the UTA–2 assembly and water tank using only conduction as the method of thermal energy transport. This simplified approach was overly conservative and yielded wetted cladding temperatures above the coolant saturation temperature. In this case, the maximum temperature of the wetted cladding surface of the highest power rod exceeded the saturation temperature of water by 63.8°C. Because of the overly conservative approach taken in Case 1 and its negative subcooled margin, buoyancy-driven natural circulation flow physics were implemented in Case 2. Adding coolant motion significantly distributed the thermal energy of the system through convective heat transfer. This relatively small amount of convective heat transfer significantly reduced system temperatures and increased the subcooled margin from –63.8 to 61.3°C. This margin confirmed that no boiling was expected during normal operation of UTA–2 at 230 W. Case 3 had no additional physics models but considered an overpower event during which the power of each LEU and natural uranium rod was at its respective peak values. This resulted in a study with the total assembly power equal to 176% of the nominal power of 230 W considered in Cases 1 and 2. The resulting natural circulation flows were slightly enhanced. The subcooled margin decreased slightly to 46.3°C, which is still a significant margin to local boiling of the water within the tank. This margin confirmed that no boiling was expected during an abnormal operation of UTA–2 at 406 W.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Google/Makani Energy Kite Modeling (CRADA CRD-18-00569 Final Report)

In support of Makani’s energy kite development program, Makani engaged with NREL to develop, verify, and document a multiphysics engineering model of a megawatt-scale tethered energy kite (named KiteFAST). After the original development of KiteFAST was completed, Makani further engaged NREL to develop a software enhancement of KiteFAST to enable the dynamics modeling of an energy kite tethered to a floating offshore platform (named KiteFAST-OS). Before this project, the capability to model the aero-hydro-servo-elastic dynamics of an airborne wind energy (AWE) system with electricity generation on the flying device (fly gen) and crosswind flight operation did not exist. Such physics-based modeling capability is needed for loads analysis, structural design, and certification of energy kites. Throughout the project, an exclusive license kept KiteFAST and KiteFAST-OS available only to Makani, NREL, and its counterparts. With the ending of Makani, the KiteFAST and KiteFAST-OS software were merged into a single code base (named KiteFAST), the exclusive license was terminated, and the source code, documentation, and example models were released publicly.

17 WIND ENERGY↗
DOE OSTI2018

Performance Assessment of a Generic Nuclear Waste Repository in Shale - 18392

A performance assessment (PA) is an important component of a comprehensive safety analysis for a nuclear waste repository. In a PA, probabilistic simulations of the total repository system are performed, and results are evaluated against performance metrics. Uncertainty and sensitivity analyses help prioritize additional research and model development. The United States Department of Energy (DOE) has been developing a state of the art PA simulation software tool-kit, Geologic Disposal Safety Assessment (GDSA) Framework, that couples increasingly higher fidelity models of subsystem processes into total system PA simulations. Over the past several years, PAs of generic repositories in three geologic media (salt, shale, and crystalline rock) have demonstrated ongoing developments in capability. The current PA of a nuclear waste repository in a generic shale formation showcases GDSA Framework, including capabilities in domain discretization (Cubit), multi-physics simulations (PFLOTRAN), uncertainty and sensitivity analysis (Dakota), and visualization (Paraview). The generic shale reference case considers the disposal of 22,000 metric tons heavy metal of commercial spent nuclear fuel (SNF) in a generic shale formation. PA simulations account for the thermal load and radionuclide inventory of the waste form, components of the engineered barrier system including waste package and buffer, and components of the natural barrier system including the host rock shale and underlying and overlying stratigraphic units. Two repository layouts are considered, one for emplacement of waste packages containing 12 pressurized water reactor (PWR) assemblies, and one for 4-PWR waste package emplacement. Model domains are half-symmetry and contain between 7 and 22 million grid cells. Grid refinement captures the detail of individual waste packages, emplacement drifts, access drifts, and shafts. Simulations are run in a high-performance computing (HPC) environment on 512 or 2048 processes. The governing equations describing coupled heat and fluid flow and reactive transport are solved with PFLOTRAN, an open-source, massively parallel multiphase flow and reactive transport code. Additional simulated processes include waste package degradation; waste form dissolution; radioactive decay and ingrowth in aqueous, solid, and adsorbed phases; and a simple biosphere based on a pumping well. Simulations are run to 106 y; dose and radionuclide concentrations are observed within aquifers at a point approximately 5 km downgradient of the repository. Dakota is used to sample likely ranges of input parameters including waste form and waste package degradation rates and properties of engineered and natural materials to quantify uncertainty in predicted concentrations and sensitivity to input parameters. Given the assumptions of the reference case, results of 12-PWR and 4-PWR simulations are very similar. Dose at the pumping well 5-km downgradient of the repository does not exceed 10-9 Sv/y. I-129 is the largest contributor to dose. The dose due to Cl-36, the next largest contributor, is orders of magnitude smaller. At the pumping well, the concentration of I-129 5-km downgradient does not exceed 10-14 mol/L. Rank correlation coefficients indicate that the maximum concentration of I-129 within the aquifer is sensitive to shale (repository host rock) porosity and aquifer permeability. These results affirm that HPC-capable codes can be used to simulate important multi-physics couplings directly in a total system performance assessment of a geologic repository, and can be used in prioritization of future research and model development. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Energize: An Interactive Evaluation Tool for Engaging the General Public with Energy Decision Making - Final Report

The public has an ever-increasing interest in the economic, environmental, and social impacts of global energy production. To support informed decision making, the scientific community has a responsibility to communicate reliable and straight-forward information to the general public, in an engaging way, regarding energy systems and how choices made at different stages of an energy technology life cycle can impact the cost, amount of materials used, and waste produced. Our objective is to enhance public engagement via an interactive electrical energy game (Energ!ze) through which players interact with one another in their quest to develop an electrical energy portfolio that optimizes economic (e.g., company profit), environmental (e.g., reduced CO 2 emissions), and social (e.g., public opinion) impacts. The design and development of Energ!ze was an iterative process involving an interdisciplinary team of engineers, discipline-based scientists, computer scientists, and education experts. The development objectives were two-fold: (1) Accurate and quantifiable modeling of electrical energy systems and (2) Engaging and interactive user interface within the construct of the game narrative. The major game mechanics in the current playable Energ!ze version focus on economic metrics, and the database is scaffolded to add environmental and social metrics for future versions. This report details the outcome of the funding period (Section 2 and 3) and describes the development process, along with recommendations for future development (Section 4).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2019

A cell-free system for production of 2,3-butanediol is robust to growth-toxic compounds

The need for sustainable, low-cost production of bioenergy and commodity chemicals is increasing. Unfortunately, the engineering potential of whole-cell catalysts to address this need can be hampered by cellular toxicity. When such bottlenecks limit the commercial feasibility of whole-cell fermentation, cell-free, or in vitro, based approaches may offer an alternative. Here, we assess the impact of three classes of growth toxic compounds on crude extract-based, cell-free chemical conversions. As a model system, we test a metabolic pathway for conversion of glucose to 2,3-butanediol (2,3-BDO) in lysates of Escherichia coli . First, we characterized 2,3-BDO production with different classes of antibiotics and found, as expected, that the system is uninhibited by compounds that prevent cell growth by means of cell wall replication and DNA, RNA, and protein synthesis. Second, we considered the impact of polar solvent addition (e.g., methanol, n-butanol). We observed that volumetric productivities (g/L/h) were slowed with increasing hydrophobicity of added alcohols. Finally, we investigated the effects of using pretreated biomass hydrolysate as a feed stock, observing a 25% reduction in 2,3-BDO production as a result of coumaroyl and feruloyl amides. Overall, we find the cell-free system to be robust to working concentrations of antibiotics and other compounds that are toxic to cell growth, but do not denature or inhibit relevant enzymes.

09 BIOMASS FUELS↗
DOE OSTI2026

T-FSM: A Scalable Distributed Task-Based System for Frequent Subgraph Pattern Mining from a Big Graph

Finding frequent subgraph patterns in a big graph is an important problem with many applications such as classifying chemical compounds and building indexes to speed up graph queries. Since this problem is NP-hard, some recent parallel and distributed systems have been developed to accelerate the mining. However, they often have a huge memory cost, very long running time, suboptimal load balancing, poor scale-out capability, and possibly inaccurate results. In this article, we propose an efficient system called T-FSM for parallel mining of frequent subgraph patterns in a big graph. T-FSM supports a new anti-monotonic frequentness measure called Fraction-Score, which is more accurate than the widely used MNI measure. The execution engine of T-FSM supports both intra-machine parallelism and inter-machine parallelism. For intra-machine parallelism, T-FSM adopts a novel task-based execution model to ensure high multithreading concurrency, bounded memory consumption, and effective load balancing. For inter-machine parallelism, T-FSM ensures good scale-out performance with a lightweight pattern rebalancing approach that reduces workload skewness of pattern evaluations among machines. To avoid recomputing the contexts for migrated patterns, we design a novel context cache table to support concurrent and asynchronous requesting and caching of remote context data, which can timely evict and garbage collect used pattern contexts that are no longer needed to keep memory consumption bounded. Extensive experiments show that T-FSM is orders of magnitude faster than existing state-of-the-art parallel systems (more than 10×, 51×, 131×, 55× speedup over ScaleMine, DistGraph, Pangolin and Peregrine, respectively) and distributed systems (more than 42× and 88× over ScaleMine and DistGraph, respectively) for frequent subgraph pattern mining, and it scales out satisfactorily to 512 CPU cores on the Polaris supercomputer at Argonne National Laboratory.

97 MATHEMATICS AND COMPUTING↗